Geometry & MOs

Info

ID:	127481
PubChem CID:	51003419
Reduced:	NO3C17H22 (2)
Stoich.:	AB3C17D22 (2)
Weight, g/mol:	338.126657
ΔH_f, kcal/mol:	-239.82
Dipole, Da:	7.39
IP(EA), eV:	-9.06(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]-4-(2-phenylethynyl)benzamide

Drug info:

PubChemData

Smile

CCCCN1C(=O)[C@H](CC(=O)C12CCN(CC2)CC3=CC=C(C=C3)OC4=CC=C(C=C4)C(=O)O)[C@@H](C5CCCCC5)O

DOS

IR

Vibrations